N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide

C27H29N3O4S — CID 156569113

IUPACN-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide
SMILESCCS(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2c(C)cc[nH]c2=O)C3=O)cc1
InChIInChI=1S/C27H29N3O4S/c1-5-35(34)19-8-6-18(7-9-19)15-22(31)30-21-14-17(3)23-20(29-21)10-12-27(4,25(23)32)24-16(2)11-13-28-26(24)33/h6-9,11,13-14H,5,10,12,15H2,1-4H3,(H,28,33)(H,29,30,31)
InChIKeyPDLMINTUFNUJCR-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.78
Rot. Bonds6

About N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide

N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide (PubChem CID 156569113) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide
PubChem CID156569113
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide
SMILESCCS(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2c(C)cc[nH]c2=O)C3=O)cc1
InChIInChI=1S/C27H29N3O4S/c1-5-35(34)19-8-6-18(7-9-19)15-22(31)30-21-14-17(3)23-20(29-21)10-12-27(4,25(23)32)24-16(2)11-13-28-26(24)33/h6-9,11,13-14H,5,10,12,15H2,1-4H3,(H,28,33)(H,29,30,31)
InChIKeyPDLMINTUFNUJCR-UHFFFAOYSA-N
XLogP3.78
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122704060
2-(4-ethylsulfonylphenyl)-N-[6-(6-methoxy-5-methylpyridazin-3-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
CID 122704128
N-[4,6-dimethyl-6-(1-methyl-6-oxopyridazin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122704013
N-[4,6-dimethyl-6-(1-methylbenzimidazol-5-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122704143
2-(4-ethylsulfonylphenyl)-N-[6-(6-methoxy-1-methylpyridazin-1-ium-3-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
CID 135225804
N-[6-(1,6-dimethoxypyridazin-1-ium-3-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 135228577
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-[4-(2-methoxyethylsulfinyl)phenyl]acetamide;ethane
CID 144855664
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 118145052
2-(4-ethylsulfonylphenyl)-N-(6-methyl-5-oxo-6-pyrazol-1-yl-7,8-dihydroquinolin-2-yl)acetamide
CID 122704123
N-[3,5-dichloro-4-[1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]-2-(4-ethylsulfinylphenyl)acetamide
CID 134179907
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-[4-(2-methoxyethylsulfonyl)phenyl]acetamide
CID 118143436
1-[4-[2-[[6-(2,6-dimethylpyrimidin-4-yl)-6-methyl-5-oxo-7,8-dihydronaphthalen-2-yl]amino]-2-oxoethyl]phenyl]ethanesulfinic acid
CID 146473797

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide?
The IUPAC name of N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide (CID 156569113) is N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide.
What is the SMILES notation for N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide?
The canonical SMILES for N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide is CCS(=O)c1ccc(CC(=O)Nc2cc(C)c3c(n2)CCC(C)(c2c(C)cc[nH]c2=O)C3=O)cc1.
What is the InChIKey of N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide?
The InChIKey is PDLMINTUFNUJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-5-35(34)19-8-6-18(7-9-19)15-22(31)30-21-14-17(3)23-20(29-21)10-12-27(4,25(23)32)24-16(2)11-13-28-26(24)33/h6-9,11,13-14H,5,10,12,15H2,1-4H3,(H,28,33)(H,29,30,31).
What are the key properties of N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide?
N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide has a molecular weight of 491.61 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-6-(4-methyl-2-oxo-1H-pyridin-3-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfinylphenyl)acetamide is sourced from PubChem (CID 156569113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).